5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide

C19H23N3O3S2 — CID 50801937

IUPAC5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cccs1)n2C
InChIInChI=1S/C19H23N3O3S2/c1-4-22(5-2)27(24,25)16-8-9-17-14(11-16)12-18(21(17)3)19(23)20-13-15-7-6-10-26-15/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyYREMTUQJXLQPKE-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.20
Rot. Bonds7

About 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide

5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide (PubChem CID 50801937) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
PubChem CID50801937
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cccs1)n2C
InChIInChI=1S/C19H23N3O3S2/c1-4-22(5-2)27(24,25)16-8-9-17-14(11-16)12-18(21(17)3)19(23)20-13-15-7-6-10-26-15/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyYREMTUQJXLQPKE-UHFFFAOYSA-N
XLogP3.20
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
CID 50801966
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24537823
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 23848292
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
CID 93075951
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide (CID 50801937) is 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1cccs1)n2C.
What is the InChIKey of 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide?
The InChIKey is YREMTUQJXLQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-4-22(5-2)27(24,25)16-8-9-17-14(11-16)12-18(21(17)3)19(23)20-13-15-7-6-10-26-15/h6-12H,4-5,13H2,1-3H3,(H,20,23).
What are the key properties of 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide?
5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 50801937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).